COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448011
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino]{[2-(6-methoxy-1H-indol-3-yl)ethyl]amino}methylidene]prop-2-enamide
Smiles: COc1ccc2c(c1)[nH]cc2CCN/C(=N/C(=O)/C=C/c1ccc2c(c1)OCO2)/Nc1nc(C)cc(n1)C

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Molecular Weight: 512.57
Empirical Formula: C28H28N6O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.909
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 122
Number of rings: 5

     

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